Hydrogen bonding in ND3 probed by neutron diffraction to 24 GPa

被引：23
|
作者：
Ninet, S. [1 ]
Datchi, F. [1 ]
Klotz, S. [1 ]
Hamel, G. [1 ]
Loveday, J. S. [2 ,3 ]
Nelmes, R. J. [2 ,3 ]
机构：
[1] Univ Paris 06, CNRS, Inst Mineral & Phys Milieux Condenses, F-75015 Paris, France
[2] Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3JZ, Midlothian, Scotland
[3] Univ Edinburgh, Sch Phys, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland
来源：
PHYSICAL REVIEW B | 2009年 / 79卷 / 10期
关键词：
ammonia; crystal structure; high-pressure solid-state phase transformations; hydrogen bonds; neutron diffraction; Raman spectra; HIGH-PRESSURE; ICE-VIII; SOLID AMMONIA; PHASE; SYMMETRIZATION; RAMAN; TRANSITION; IV;
D O I：
10.1103/PhysRevB.79.100101
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The structure of deuterated ammonia has been determined as a function of pressure up to 24 GPa using powder neutron-diffraction techniques. The presence of an isostructural transition at approximately 18 GPa is confirmed and ascribed to a slight displacement of one D atom. As a result, the H bond formed by this D atom changes angle and becomes nearly straight (178 degrees) at 24 GPa. A departure from the molecular C-3v symmetry is also detected which is further supported by the evolution of the Raman spectra.
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页数：4
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